CID 126821714

Tert-butyl n-[3,3,3-trifluoro-2-(methylamino)propyl]carbamate

Structural Information

Molecular Formula
C9H17F3N2O2
SMILES
CC(C)(C)OC(=O)NCC(C(F)(F)F)NC
InChI
InChI=1S/C9H17F3N2O2/c1-8(2,3)16-7(15)14-5-6(13-4)9(10,11)12/h6,13H,5H2,1-4H3,(H,14,15)
InChIKey
WBKUZPDONICIRE-UHFFFAOYSA-N
Compound name
tert-butyl N-[3,3,3-trifluoro-2-(methylamino)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

242.1242 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.131476 152.6
[M+Na]+ 265.113418 157.9
[M-H]- 241.116924 148.9
[M+NH4]+ 260.158023 169.7
[M+K]+ 281.087358 157.8
[M+H-H2O]+ 225.121460 145.1
[M+HCOO]- 287.122401 169.9
[M+CH3COO]- 301.138051 197.1
[M+Na-2H]- 263.098866 155.9
[M]+ 242.12365142 149.0
[M]- 242.12474858 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe